4-Benzyloxybenzophenone

HCID 458193

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Basic information

CAS: 54589-41-2
Standard SMILES: O=C(c1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIKey: NMPNTBQOLRXPGK-UHFFFAOYSA-N
Molecular formula: C20H16O2
Average molar mass: 288.3 g/mol
Monoisotopic mass: 288.11502975

Names & identifiers

Preferred name: 4-Benzyloxybenzophenone
IUPAC: phenyl-(4-phenylmethoxyphenyl)methanone
English name: 4-Benzyloxybenzophenone
Molecular formula: C20H16O2
Molecular weight: 288.34

Names & synonyms

4-Benzyloxybenzophenone54589-41-2DTXSID10332485RefChem:290353DTXCID00283578NMPNTBQOLRXPGK-UHFFFAOYSA-N(4-(Benzyloxy)phenyl)(phenyl)methanonephenyl-(4-phenylmethoxyphenyl)methanone4-(Benzyloxy)benzophenoneMFCD00017508[4-(benzyloxy)phenyl](phenyl)methanone(4-benzyloxyphenyl)-phenyl-methanone

Show more names

LABOTEST-BB LT00455445P-(BENZYLOXY)BENZOPHENONE4-Benzyloxybenzophenone >4-BENZYLOXYBENZOPHENONE, 98+%Methanone, phenyl[4-(phenylmethoxy)phenyl]-

phenyl 4-(phenylmethoxy)phenyl ketone(4-Benzyloxy-phenyl)-phenyl-methanoneSCHEMBL4023004-Benzyloxybenzophenone, 98%CHEMBL2086867MFCD03454175SBB058014AKOS005206701

Database identifiers

CAS: 54589-41-2
PubChem CID: 458193
DTXSID: DTXSID10332485
ChEMBL: CHEMBL2086867
Nikkaji: J1.049.568G

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 332

Physicochemical properties

Melting point: 82 · 82-85 °C(lit.)
Boiling point: 451.2 · 451.2±28.0 °C(Predicted)
Density: 1.143 · 1.143±0.06 g/cm3(Predicted)
form: powder to crystal
color: White to Orange to Green
BRN: 2464631 · 2464631
CAS DataBase Reference: 54589 · 54589-41-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
HS Code: 2914500090 · 2914500090

Safety & regulation

Safety data

wgk: 3
hs_code: 2914500090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362